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727674-58-0 | [2-(phenoxymethyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CAS No: 727674-58-0 Catalog No: AG00JH0Y MDL No:MFCD05860720
Product Description
Catalog Number:
AG00JH0Y
Chemical Name:
[2-(phenoxymethyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CAS Number:
727674-58-0
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD05860720
IUPAC Name:
[4-(hydroxymethyl)-2-(phenoxymethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C12H15NO4/c14-7-12(8-15)9-17-11(13-12)6-16-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2
InChI Key:
XJCUBIFAIWMENR-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC(=N1)COc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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